2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C16H22N4S2 — CID 72928054

IUPAC2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(N3CCSCC3)CC2)c2ccsc2n1
InChIInChI=1S/C16H22N4S2/c1-12-17-15(14-4-9-22-16(14)18-12)20-5-2-13(3-6-20)19-7-10-21-11-8-19/h4,9,13H,2-3,5-8,10-11H2,1H3
InChIKeyFFCMURRVJVKJDM-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.02
Rot. Bonds2

About 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine

2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 72928054) has the molecular formula C16H22N4S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID72928054
Molecular FormulaC16H22N4S2
Molecular Weight334.51 g/mol
Exact Mass334.13
IUPAC Name2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(N3CCSCC3)CC2)c2ccsc2n1
InChIInChI=1S/C16H22N4S2/c1-12-17-15(14-4-9-22-16(14)18-12)20-5-2-13(3-6-20)19-7-10-21-11-8-19/h4,9,13H,2-3,5-8,10-11H2,1H3
InChIKeyFFCMURRVJVKJDM-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 72928054) is 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine is Cc1nc(N2CCC(N3CCSCC3)CC2)c2ccsc2n1.
What is the InChIKey of 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is FFCMURRVJVKJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S2/c1-12-17-15(14-4-9-22-16(14)18-12)20-5-2-13(3-6-20)19-7-10-21-11-8-19/h4,9,13H,2-3,5-8,10-11H2,1H3.
What are the key properties of 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 334.51 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 72928054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).